2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide

C17H24N6O2 — CID 56882842

IUPAC2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1ncccc1CN1CCOCC1CC(=O)NCCn1cccn1
InChIInChI=1S/C17H24N6O2/c18-17-14(3-1-4-20-17)12-22-9-10-25-13-15(22)11-16(24)19-6-8-23-7-2-5-21-23/h1-5,7,15H,6,8-13H2,(H2,18,20)(H,19,24)
InChIKeyQEJGLDLBBHDAIQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.27
Rot. Bonds7

About 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide

2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 56882842) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID56882842
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1ncccc1CN1CCOCC1CC(=O)NCCn1cccn1
InChIInChI=1S/C17H24N6O2/c18-17-14(3-1-4-20-17)12-22-9-10-25-13-15(22)11-16(24)19-6-8-23-7-2-5-21-23/h1-5,7,15H,6,8-13H2,(H2,18,20)(H,19,24)
InChIKeyQEJGLDLBBHDAIQ-UHFFFAOYSA-N
XLogP0.27
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 56882842) is 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide is Nc1ncccc1CN1CCOCC1CC(=O)NCCn1cccn1.
What is the InChIKey of 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is QEJGLDLBBHDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c18-17-14(3-1-4-20-17)12-22-9-10-25-13-15(22)11-16(24)19-6-8-23-7-2-5-21-23/h1-5,7,15H,6,8-13H2,(H2,18,20)(H,19,24).
What are the key properties of 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 56882842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).